(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-azanyl-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-2-(2-methylpropanoylamino)propanoyl]amino]pentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-N-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]hexanamide

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-azanyl-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-2-(2-methylpropanoylamino)propanoyl]amino]pentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-N-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]hexanamide Openeye Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-2-(2-methylpropanoylamino)propanoyl]amino]pentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-N-[(1S)-2-amino-1-methyl-2-oxo-ethyl]hexanamide CAS Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-methyl-1-oxopropyl)amino]-1-oxopropyl]amino]-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-N-[(2S)-1-amino-1-oxopropan-2 IUPAC Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-2-(2-methylpropanoylamino)propanoyl]amino]pentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-N-[(2S)-1-amino-1-oxopropan-2-yl]hexanamide Traditional Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-[[(2S)-2-(isobutyrylamino)propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-N-[(1S)-2-amino-2-keto-1-methyl-ethyl]hexanamide Formula: C84H149N21O16 MolecularWeight: 1709.21296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)N)NC(=O)C(C)NC(=O)C(C)C

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C(C)C)O

InChI

InChI=1S/C84H149N21O16/c1-46(2)40-63(99-72(109)53(14)93-71(108)51(11)12)80(117)101-67(44-55-45-91-57-29-17-16-28-56(55)57)82(119)98-62(34-22-27-39-89)77(114)105-69(54(15)106)84(121)103-66(43-49(7)8)81(118)100-64(41-47(3)4)78(115)96-60(32-20-25-37-87)75(112)95-61(33-21-26-38-88)76(113)104-68(50(9)10)83(120)102-65(42-48(5)6)79(116)97-59(31-19-24-36-86)74(111)94-58(30-18-23-35-85)73(110)92-52(13)70(90)107/h16-17,28-29,45-54,58-69,91,106H,18-27,30-44,85-89H2,1-15H3,(H2,90,107)(H,92,110)(H,93,108)(H,94,111)(H,95,112)(H,96,115)(H,97,116)(H,98,119)(H,99,109)(H,100,118)(H,101,117)(H,102,120)(H,103,121)(H,104,113)(H,105,114)/t52-,53-,54+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1